CC1C=C(C#N)CN(CC(=O)O)C1
SMILES: CC1C=C(C#N)CN(CC(=O)O)C1

Molecular Processing

Molecular formula
C9H12N2O2
Molecular weight
180.21
Exact mass
180.0899
XLogP
0.47
TPSA
64.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
46.94

Supplementary Information

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